Chlorine in PDB 5zdr: Crystal Structure of Cyanide-Insensitive Alternative Oxidase From Trypanosoma Brucei with Ascofuranone Derivative

Protein crystallography data

The structure of Crystal Structure of Cyanide-Insensitive Alternative Oxidase From Trypanosoma Brucei with Ascofuranone Derivative, PDB code: 5zdr was solved by T.Shiba, D.K.Inaoka, G.Takahashi, C.Tsuge, Y.Kido, L.Young, S.Ueda, E.O.Balogun, T.Nara, T.Honma, A.Tanaka, M.Inoue, H.Saimoto, S.Harada, A.L.Moore, K.Kita, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.81 / 2.59
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 152.308, 219.682, 63.481, 90.00, 114.89, 90.00
R / Rfree (%) 20.7 / 25.7

Other elements in 5zdr:

The structure of Crystal Structure of Cyanide-Insensitive Alternative Oxidase From Trypanosoma Brucei with Ascofuranone Derivative also contains other interesting chemical elements:

Iron (Fe) 8 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Cyanide-Insensitive Alternative Oxidase From Trypanosoma Brucei with Ascofuranone Derivative (pdb code 5zdr). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Cyanide-Insensitive Alternative Oxidase From Trypanosoma Brucei with Ascofuranone Derivative, PDB code: 5zdr:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 5zdr

Go back to Chlorine Binding Sites List in 5zdr
Chlorine binding site 1 out of 4 in the Crystal Structure of Cyanide-Insensitive Alternative Oxidase From Trypanosoma Brucei with Ascofuranone Derivative


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Cyanide-Insensitive Alternative Oxidase From Trypanosoma Brucei with Ascofuranone Derivative within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl504

b:34.7
occ:1.00
CLAW A:CHW504 0.0 34.7 1.0
CAV A:CHW504 1.8 28.7 1.0
CAP A:CHW504 2.7 25.9 1.0
CAU A:CHW504 2.7 28.8 1.0
OAQ A:CHW504 2.9 23.8 1.0
CAX A:CHW504 3.0 31.5 1.0
CG2 A:THR219 3.9 27.8 1.0
CAC A:CHW504 4.0 27.3 1.0
CD1 A:LEU122 4.0 26.5 1.0
CB A:THR219 4.1 27.7 1.0
CAO A:CHW504 4.1 30.2 1.0
NE A:ARG118 4.1 27.5 1.0
CZ A:TYR220 4.2 36.1 1.0
SG A:CYS119 4.3 50.3 1.0
OH A:TYR220 4.4 36.1 1.0
CA A:CYS119 4.4 37.8 1.0
OG1 A:THR219 4.4 26.8 1.0
CE2 A:TYR220 4.4 36.3 1.0
CAB A:CHW504 4.5 29.0 1.0
CG A:ARG118 4.5 30.1 1.0
CE1 A:TYR220 4.6 35.8 1.0
CD A:ARG118 4.6 27.3 1.0
CB A:CYS119 4.6 40.3 1.0
N A:CYS119 4.7 36.9 1.0
CB A:LEU122 4.9 27.5 1.0
CD2 A:TYR220 5.0 37.1 1.0

Chlorine binding site 2 out of 4 in 5zdr

Go back to Chlorine Binding Sites List in 5zdr
Chlorine binding site 2 out of 4 in the Crystal Structure of Cyanide-Insensitive Alternative Oxidase From Trypanosoma Brucei with Ascofuranone Derivative


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Cyanide-Insensitive Alternative Oxidase From Trypanosoma Brucei with Ascofuranone Derivative within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl504

b:44.0
occ:1.00
CLAW B:CHW504 0.0 44.0 1.0
CAV B:CHW504 1.8 39.6 1.0
CAP B:CHW504 2.7 42.9 1.0
CAU B:CHW504 2.7 40.1 1.0
OAQ B:CHW504 2.8 40.5 1.0
CAX B:CHW504 2.9 39.0 1.0
SG B:CYS119 3.6 44.0 1.0
CG2 B:THR219 3.7 31.8 1.0
CD1 B:LEU122 3.8 29.0 1.0
CAC B:CHW504 4.0 44.0 1.0
CAO B:CHW504 4.1 38.0 1.0
CB B:THR219 4.1 29.4 1.0
NE B:ARG118 4.1 31.1 1.0
CD B:ARG118 4.3 32.7 1.0
CA B:CYS119 4.3 38.0 1.0
CG B:ARG118 4.4 35.3 1.0
CZ B:TYR220 4.4 29.2 1.0
OG1 B:THR219 4.4 31.3 1.0
OH B:TYR220 4.4 26.1 1.0
CB B:CYS119 4.4 39.1 1.0
CB B:LEU122 4.5 29.9 1.0
CAB B:CHW504 4.5 41.3 1.0
CE2 B:TYR220 4.6 27.4 1.0
CG B:LEU122 4.7 31.4 1.0
CE1 B:TYR220 4.8 31.1 1.0
N B:CYS119 4.8 39.0 1.0

Chlorine binding site 3 out of 4 in 5zdr

Go back to Chlorine Binding Sites List in 5zdr
Chlorine binding site 3 out of 4 in the Crystal Structure of Cyanide-Insensitive Alternative Oxidase From Trypanosoma Brucei with Ascofuranone Derivative


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Cyanide-Insensitive Alternative Oxidase From Trypanosoma Brucei with Ascofuranone Derivative within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl504

b:54.9
occ:1.00
CLAW C:CHW504 0.0 54.9 1.0
CAV C:CHW504 1.8 51.7 1.0
CAU C:CHW504 2.7 56.9 1.0
CAP C:CHW504 2.7 48.4 1.0
OAQ C:CHW504 2.9 44.7 1.0
CAX C:CHW504 2.9 57.0 1.0
CG2 C:THR219 3.3 39.9 1.0
CB C:THR219 3.6 41.3 1.0
CD1 C:LEU122 3.6 45.8 1.0
OG1 C:THR219 3.6 42.5 1.0
NE C:ARG118 3.8 50.8 1.0
CAC C:CHW504 4.0 49.2 1.0
CAO C:CHW504 4.1 56.1 1.0
CD C:ARG118 4.4 49.3 1.0
SG C:CYS119 4.5 57.2 1.0
CA C:CYS119 4.5 47.0 1.0
CB C:LEU122 4.5 47.5 1.0
CAB C:CHW504 4.6 52.0 1.0
CG C:ARG118 4.6 47.6 1.0
CZ C:TYR220 4.6 41.8 1.0
CG C:LEU122 4.6 48.7 1.0
OH C:TYR220 4.6 44.7 1.0
CZ C:ARG118 4.6 51.1 1.0
NH2 C:ARG118 4.7 49.9 1.0
CE2 C:TYR220 4.9 41.0 1.0
CB C:CYS119 4.9 49.6 1.0
CE1 C:TYR220 5.0 43.6 1.0
N C:CYS119 5.0 46.0 1.0

Chlorine binding site 4 out of 4 in 5zdr

Go back to Chlorine Binding Sites List in 5zdr
Chlorine binding site 4 out of 4 in the Crystal Structure of Cyanide-Insensitive Alternative Oxidase From Trypanosoma Brucei with Ascofuranone Derivative


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Cyanide-Insensitive Alternative Oxidase From Trypanosoma Brucei with Ascofuranone Derivative within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl504

b:62.3
occ:1.00
CLAW D:CHW504 0.0 62.3 1.0
CAV D:CHW504 1.8 56.4 1.0
CAP D:CHW504 2.7 56.0 1.0
CAU D:CHW504 2.7 52.9 1.0
OAQ D:CHW504 2.9 52.8 1.0
CAX D:CHW504 3.0 51.8 1.0
CG2 D:THR219 3.3 37.3 1.0
SG D:CYS119 3.6 41.8 1.0
CB D:THR219 3.9 36.3 1.0
NE D:ARG118 3.9 45.5 1.0
CAC D:CHW504 4.0 55.7 1.0
CAO D:CHW504 4.1 53.5 1.0
CD D:ARG118 4.1 43.9 1.0
CD1 D:LEU122 4.3 33.1 1.0
OG1 D:THR219 4.4 37.1 1.0
CZ D:TYR220 4.4 39.4 1.0
CAB D:CHW504 4.6 52.6 1.0
OH D:TYR220 4.6 36.8 1.0
CE1 D:TYR220 4.6 38.8 1.0
CE2 D:TYR220 4.6 41.6 1.0
CA D:CYS119 4.7 44.5 1.0
CG D:ARG118 4.8 42.7 1.0
CB D:CYS119 4.8 44.3 1.0
O D:ALA216 4.9 38.4 1.0

Reference:

T.Shiba, D.K.Inaoka, G.Takahashi, C.Tsuge, Y.Kido, L.Young, S.Ueda, E.O.Balogun, T.Nara, T.Honma, A.Tanaka, M.Inoue, H.Saimoto, S.Harada, A.L.Moore, K.Kita. Insights Into the Ubiquinol/Dioxygen Binding and Proton Relay Pathways of the Alternative Oxidase. Biochim Biophys Acta V.1860 375 2019BIOENERG.
ISSN: ISSN 1879-2650
PubMed: 30910528
DOI: 10.1016/J.BBABIO.2019.03.008
Page generated: Sat Dec 12 12:42:04 2020

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